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Information card for entry 7042864
Preview
Coordinates | 7042864.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 Au F6 Fe P2 S3 |
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Calculated formula | C32 H38 Au F6 Fe P2 S3 |
SMILES | [Fe]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)SCC[S]5CC[S]6[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes |
Authors of publication | Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.9715 ± 0.0003 Å |
b | 13.7519 ± 0.0004 Å |
c | 20.3281 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3626.18 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0719 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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